CID 379831

Nsc664962

Structural Information

Molecular Formula
C9H10F4Se
SMILES
C1CC2CC1C3C2[Se]C(C3(F)F)(F)F
InChI
InChI=1S/C9H10F4Se/c10-8(11)6-4-1-2-5(3-4)7(6)14-9(8,12)13/h4-7H,1-3H2
InChIKey
PHSQTDFFDQCHTE-UHFFFAOYSA-N
Compound name
4,4,5,5-tetrafluoro-3-selenatricyclo[5.2.1.02,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.98837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.99565 158.7
[M+Na]+ 296.97759 163.3
[M+NH4]+ 292.02219 167.6
[M+K]+ 312.95153 158.5
[M-H]- 272.98109 153.9
[M+Na-2H]- 294.96304 158.0
[M]+ 273.98782 157.8
[M]- 273.98892 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.